Effect of Inclination Angle on Mechanical Behaviour and Deformation Asymmetry in Aluminium Bicrystal

Abstract

The influence of inclination angle of the grain boundary (GB) and the stress sign (negative or positive) on the mechanical performance of Σ13 aluminium (Al) bicrystals are investigated via molecular dynamic (MD) simulations of the deformation process. The mechanical response of the slanted GB ranging from 0° to 60° shows that (i) the peak yield needed for dislocation nucleation is inversely proportional to the magnitude of the angle; (ii) compression favors greater yield stresses of the slanted bicrystals than tension. Corresponding Schmid factors give an insight on how the inclination angle tends to compromise the elasticity of the bicrystal. Moreover, a considerable discrepancy in plasticity is also identified by dynamic monitoring of the atomic configuration and HCP atoms. This study provides a prediction of the impact of inclination angle on mechanical behaviour of bicrystal metals.